Structure Database (LMSD)

Common Name
1,8-Cineol
Systematic Name
Synonyms
LM ID
LMPR0102090019
Status
Active
Exact Mass
Calculate m/z
154.135765
Formula
C10H18O
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
WEEGYLXZBRQIMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILES (Click to copy)
C12(C)CCC(CC1)C(C)(C)O2

References

Other Databases

Wikipedia
Cineol
KEGG ID
C09844
HMDB ID
HMDB0004472
CHEBI ID
27961
PubChem CID
2758
Cayman ID
22183

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 161.83
Topological Polar Surface Area 11.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.32
Molar Refractivity 46.55

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Updated at
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